Home Carboxys 1,2,3-Propane-1,1,3,3-d4-tricarboxylic acid, 2-hydroxy- (9CI)

1,2,3-Propane-1,1,3,3-d4-tricarboxylic acid, 2-hydroxy- (9CI)

CAS No.:
147664-83-3
Catalog Number:
AG001F2R
Molecular Formula:
C6H4D4O7
Molecular Weight:
196.1482
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Product Description
Catalog Number:
AG001F2R
Chemical Name:
1,2,3-Propane-1,1,3,3-d4-tricarboxylic acid, 2-hydroxy- (9CI)
CAS Number:
147664-83-3
Molecular Formula:
C6H4D4O7
Molecular Weight:
196.1482
MDL Number:
MFCD00209702
IUPAC Name:
1,1,3,3-tetradeuterio-2-hydroxypropane-1,2,3-tricarboxylic acid
InChI:
InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i1D2,2D2
InChI Key:
KRKNYBCHXYNGOX-LNLMKGTHSA-N
SMILES:
C([2H])(C(C(C(=O)O)([2H])[2H])(C(=O)O)O)(C(=O)O)[2H]
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.052g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
4  
Molecular Weight:
196.147g/mol
Monoisotopic Mass:
196.052g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7  
Properties